ditert-butyl (2S)-2-[[4-(hept-6-enoylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-(hept-6-enoylamino)phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-(hept-6-enoylamino)benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[oxo-[4-(1-oxohept-6-enylamino)phenyl]methyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-(hept-6-enoylamino)benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-(hept-6-enoylamino)benzoyl]amino]glutaric acid ditert-butyl ester Formula: C27H40N2O6 MolecularWeight: 488.6163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NC(=O)CCCCC=C

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NC(=O)CCCCC=C

InChI

InChI=1S/C27H40N2O6/c1-8-9-10-11-12-22(30)28-20-15-13-19(14-16-20)24(32)29-21(25(33)35-27(5,6)7)17-18-23(31)34-26(2,3)4/h8,13-16,21H,1,9-12,17-18H2,2-7H3,(H,28,30)(H,29,32)/t21-/m0/s1